SCHEMBL3935483

SCHEMBL3935483

COCC1(C)CCc2c(C)c([N+](=O)[O-])c(C)c(C)c2O1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTPA P49638 5/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
PDE4A P27815 1/20 0.36
PDE3A Q14432 1/20 0.36
GSTO1 P78417 1/20 0.35
MAPT P10636 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 2/20 0.35
GSTP1 P09211 1/20 0.35
USP2 O75604 1/20 0.35
THRB P10828 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PSEN1 P49768 2/20 0.35
NR1I2 O75469 2/20 0.34
ALOX5 P09917 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
CYP1A2 P05177 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3941352 0.84 NR1I2 (0.40) TTPAMEN1KMT2APDE4APDE3A
SCHEMBL15851246 0.82 MAPT (0.41) TTPAMEN1KMT2APDE4APDE3A
SCHEMBL21344356 0.78 MEN1 (0.42) TTPAMEN1KMT2APDE4APDE3A
SCHEMBL15851242 0.77 MAPT (0.55) TTPAMEN1KMT2AMAPTTDP1
SCHEMBL3934705 0.76 AKT1 (0.30)
SCHEMBL3934598 0.75 PTGS1 (0.36) TTPAPTGS1PTGS2CYP1A2CYP3A4
SCHEMBL15854991 0.75 PSEN1 (0.43) TTPAMEN1KMT2APDE4APDE3A
SCHEMBL3932577 0.74
SCHEMBL3933202 0.74 PTGS1 (0.64) TTPAPSEN1NR1I2ALOX5PTGS1
SCHEMBL3940891 0.73 TTPA (0.32) TTPANR1I2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306055-A1 PHENYLAZOLE COMPOUNDS, PRODUCTION PROCESS AND ANTIOXIDANTS NIPPON SODA CO., LTD. (JP) 2009-12-10 US disclosed
US-20090306055-A1 PHENYLAZOLE COMPOUNDS, PRODUCTION PROCESS AND ANTIOXIDANTS NIPPON SODA CO., LTD. (JP) 2009-12-10 US disclosed
US-7553837-B2 Phenylazole compounds production process and antioxidants NIPPON SODA CO., LTD. (JP) 2009-06-30 US disclosed
US-7553837-B2 Phenylazole compounds production process and antioxidants NIPPON SODA CO., LTD. (JP) 2009-06-30 US disclosed
US-20060247228-A1 Phenylazole compounds production process and antioxidants NIPPON SODA CO., LTD. (JP) 2006-11-02 US disclosed
US-20060189673-A1 Phenylazole compound, production process therefor and antioxidant NIPPON SODA CO., LTD. (JP) 2006-08-24 US disclosed
EP-1650206-A1 PHENYLAZOLE COMPOUNDS, PRODUCTION PROCESS, AND ANTIOXIDANTS NIPPON SODA CO., LTD. (JP) 2006-04-26 EP disclosed
EP-1614688-A1 PHENYLAZOLE COMPOUND, PRODUCTION PROCESS, AND ANTIOXIDANT DRUG NIPPON SODA CO., LTD. (JP) 2006-01-11 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090306055-A1 PHENYLAZOLE COMPOUNDS, PRODUCTION PROCESS AND ANTIOXIDANTS NOX1, CBR1, AOX1 TTPA 2037/4885MEN1 4566/4885KMT2A 4517/4885
US-20060247228-A1 Phenylazole compounds production process and antioxidants CBR1, CBR3, NOX3 TTPA 1721/4885MEN1 4516/4885KMT2A 4566/4885
US-20060189673-A1 Phenylazole compound, production process therefor and antioxidant CBR3, CYP4F11, CBR1 TTPA 559/4885MEN1 4193/4885KMT2A 2756/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.